Re4Tc3Rh2
Alexandria ALEXAlex-ID: agm005674536 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_610_spg15
Tc3Rh ReTc Re3Rh
2023-06-29 04:12:13.544218
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674536).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005674536
data_agm005674536
_cell_length_a 5.20332
_cell_length_b 7.09153
_cell_length_c 7.30955
_cell_angle_alpha 98.75312
_cell_angle_beta 95.94006
_cell_angle_gamma 96.36413
_cell_volume 262.93819
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Re1 Re 0.06929 0.82334 0.44454 1.00000
Re2 Re 0.19151 0.93306 0.11346 1.00000
Re3 Re 0.93071 0.17666 0.55546 1.00000
Re4 Re 0.80849 0.06694 0.88654 1.00000
Re5 Re 0.84849 0.60074 0.11170 1.00000
Re6 Re 0.40729 0.15469 0.44384 1.00000
Re7 Re 0.15151 0.39926 0.88830 1.00000
Re8 Re 0.59271 0.84531 0.55616 1.00000
Tc1 Tc 0.96665 0.71567 0.77916 1.00000
Tc2 Tc 0.29746 0.04919 0.78138 1.00000
Tc3 Tc 0.03335 0.28433 0.22084 1.00000
Tc4 Tc 0.70254 0.95081 0.21862 1.00000
Tc5 Tc 0.37154 0.62118 0.22204 1.00000
Tc6 Tc 0.62846 0.37882 0.77796 1.00000
Rh1 Rh 0.74072 0.49189 0.44492 1.00000
Rh2 Rh 0.51694 0.26889 0.11154 1.00000
Rh3 Rh 0.25928 0.50811 0.55508 1.00000
Rh4 Rh 0.48306 0.73111 0.88846 1.00000
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